SCHEMBL7982497

SCHEMBL7982497

NCCNCCCCC(N)CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
CA3 P07451 3/20 0.50
ALOX15 P16050 3/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
KMT2A Q03164 2/20 0.48
F13A1 P00488 2/20 0.48
CYP1A2 P05177 2/20 0.48
THPO P40225 2/20 0.48
CASP2 P42575 2/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7981161 0.93 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL7971206 0.85 CA12 (0.53) CA12CA6CA7CA9CA14
SCHEMBL16552936 0.83 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL8699212 0.79 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL9111058 0.79 ENPEP (0.38) ALDH1A1
SCHEMBL28352525 0.79 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL1460229 0.79 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL4826284 0.79 ANPEP (0.37) CA12CA6CA7CA9CA14
SCHEMBL351351 0.76
SCHEMBL4809727 0.76 CA12 (0.37) CA12CA6CA7CA9CA14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300340-B1 USEFUL FOR THERAPY OF CANCER AND SOLID TUMORS ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
US-6162822-A Bisimide compounds ADIR ET COMPAGNIE (FR) 2000-12-19 US disclosed
EP-0820985-B1 Bis imide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-08-30 EP disclosed
US-5854273-A Bisimide compounds ADIR ET COMPAGNIE (FR) 1998-12-29 US disclosed
EP-0820985-A1 Bis imide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-01-28 EP disclosed